SCHEMBL9320196

SCHEMBL9320196

O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(Cl)c(Cl)cc1Cl)Oc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
CASP1 P29466 6/20 0.47
FOLH1 Q04609 1/20 0.46
CTSK P43235 4/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARA Q07869 2/20 0.45
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7273944 0.87 TACR1 (0.54) KDM4EALDH1A1HPGDHTTCTSK
SCHEMBL11822319 0.87 TACR1 (0.54) KDM4EALDH1A1HPGDHTTCTSK
SCHEMBL11517121 0.84 CTSK (0.63) CTSKCTSSCTSLCTSB
SCHEMBL5689816 0.83 CTSL (0.53) KDM4EALDH1A1HPGDHTTCTSK
SCHEMBL11796386 0.83 CTSL (0.53) KDM4EALDH1A1HPGDHTTCTSK
SCHEMBL11658723 0.81 ITGB3 (0.53) KDM4EALDH1A1HPGDHTTCTSK
SCHEMBL10974305 0.80 KDM4E (0.47) KDM4EALDH1A1HPGDHTTCTSK
SCHEMBL11795571 0.80 KDM4E (0.52) KDM4EALDH1A1HPGDHTTCASP1
SCHEMBL8765287 0.78 CASP1 (0.57) ALDH1A1HPGDCASP1CTSKMEN1
SCHEMBL8765277 0.78 CASP1 (0.57) ALDH1A1HPGDCASP1CTSKMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5342977-A Immunostimulants CIBA-GEIGY CORP. (US) 1994-08-30 US disclosed